hexanoyloxymethyl 3,3-dimethyl-7-oxidanylidene-6-(phenylmethoxycarbonylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: hexanoyloxymethyl 3,3-dimethyl-7-oxidanylidene-6-(phenylmethoxycarbonylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: hexanoyloxymethyl 6-(benzyloxycarbonylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3,3-dimethyl-7-oxo-6-(phenylmethoxycarbonylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 1-oxohexoxymethyl ester IUPAC Name: hexanoyloxymethyl 3,3-dimethyl-7-oxo-6-(phenylmethoxycarbonylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-(benzyloxycarbonylamino)-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid caproyloxymethyl ester Formula: C23H30N2O7S MolecularWeight: 478.5585

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCOC(=O)C1C(SC2N1C(=O)C2NC(=O)OCC3=CC=CC=C3)(C)C

Isomeric SMILES

CCCCCC(=O)OCOC(=O)C1C(SC2N1C(=O)C2NC(=O)OCC3=CC=CC=C3)(C)C

InChI

InChI=1S/C23H30N2O7S/c1-4-5-7-12-16(26)31-14-32-21(28)18-23(2,3)33-20-17(19(27)25(18)20)24-22(29)30-13-15-10-8-6-9-11-15/h6,8-11,17-18,20H,4-5,7,12-14H2,1-3H3,(H,24,29)